SCHEMBL3398495

SCHEMBL3398495

Cc1ccc(-c2nc(C)c(C(=O)N3CCN(C(C)C)CC3)s2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
THRA P10827 2/20 0.46
THRB P10828 2/20 0.46
HTR2C P28335 6/20 0.43
GSK3B P49841 1/20 0.43
DYRK1A Q13627 1/20 0.43
TRPM8 Q7Z2W7 2/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 2/20 0.42
PARP1 P09874 2/20 0.40
CDK6 Q00534 1/20 0.40
DYRK2 Q92630 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3398373 0.93 CNR1 (0.49) CNR1THRATHRBHTR2CGSK3B
SCHEMBL3406022 0.92 CNR1 (0.48) CNR1THRATHRBHTR2CGSK3B
SCHEMBL3405916 0.90 CNR1 (0.51) CNR1THRATHRBHTR2CGSK3B
SCHEMBL3405774 0.90 CNR1 (0.47) CNR1THRATHRBHTR2CGSK3B
SCHEMBL3402351 0.88 CNR1 (0.45) CNR1THRATHRBHTR2CGSK3B
SCHEMBL3399579 0.88 CNR1 (0.47) CNR1THRATHRBHTR2CGSK3B
SCHEMBL3404377 0.87 TRPM8 (0.57) CNR1HTR2CTRPM8
SCHEMBL3406010 0.87 CNR1 (0.49) CNR1THRATHRBHTR2CGSK3B
SCHEMBL3399685 0.87 CNR1 (0.55) CNR1THRATHRBHTR2CTRPM8
SCHEMBL3405399 0.84 CNR1 (0.57) CNR1THRATHRBHTR2CMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO disclosed